2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide

C27H29N5O3S — CID 123449965

IUPAC2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3cc(CO)ccc3c2)sc1NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C27H29N5O3S/c28-25(34)24-26(29-15-18-1-3-19(4-2-18)16-32-9-11-35-12-10-32)36-27(31-24)30-23-8-7-21-13-20(17-33)5-6-22(21)14-23/h1-8,13-14,29,33H,9-12,15-17H2,(H2,28,34)(H,30,31)
InChIKeyFGQJEOJZUMBRLA-UHFFFAOYSA-N
MW503.63 g/mol
LogP4.08
Rot. Bonds9

About 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide

2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide (PubChem CID 123449965) has the molecular formula C27H29N5O3S and a molecular weight of 503.63 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide
PubChem CID123449965
Molecular FormulaC27H29N5O3S
Molecular Weight503.63 g/mol
Exact Mass503.20
IUPAC Name2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3cc(CO)ccc3c2)sc1NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C27H29N5O3S/c28-25(34)24-26(29-15-18-1-3-19(4-2-18)16-32-9-11-35-12-10-32)36-27(31-24)30-23-8-7-21-13-20(17-33)5-6-22(21)14-23/h1-8,13-14,29,33H,9-12,15-17H2,(H2,28,34)(H,30,31)
InChIKeyFGQJEOJZUMBRLA-UHFFFAOYSA-N
XLogP4.08
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(naphthalen-2-ylamino)-5-[[4-[(3-oxopiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 118061973
5-[[4-[(2-hydroxyethylamino)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062272
tert-butyl 2-[(3R)-1-[[4-[[4-carbamoyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]carbamoyl]phenyl]methyl]pyrrolidin-3-yl]acetate
CID 160932956
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 118062665
5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide
CID 67083877
2-(4-anilinophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24652273
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride
CID 87521619

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide (CID 123449965) is 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3cc(CO)ccc3c2)sc1NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is FGQJEOJZUMBRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3S/c28-25(34)24-26(29-15-18-1-3-19(4-2-18)16-32-9-11-35-12-10-32)36-27(31-24)30-23-8-7-21-13-20(17-33)5-6-22(21)14-23/h1-8,13-14,29,33H,9-12,15-17H2,(H2,28,34)(H,30,31).
What are the key properties of 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide?
2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 503.63 g/mol, XLogP of 4.08, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123449965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).