2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide

C15H19N3O2S2 — CID 29324595

IUPAC2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)s1
InChIInChI=1S/C15H19N3O2S2/c1-10-7-13(11(2)22-10)14(19)17-15-16-12(9-21-15)8-18-3-5-20-6-4-18/h7,9H,3-6,8H2,1-2H3,(H,16,17,19)
InChIKeyUDPDLCBWOHJZFQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.91
Rot. Bonds4

About 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide

2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 29324595) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
PubChem CID29324595
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)s1
InChIInChI=1S/C15H19N3O2S2/c1-10-7-13(11(2)22-10)14(19)17-15-16-12(9-21-15)8-18-3-5-20-6-4-18/h7,9H,3-6,8H2,1-2H3,(H,16,17,19)
InChIKeyUDPDLCBWOHJZFQ-UHFFFAOYSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-propylthiophene-2-carboxamide
CID 29324093
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547700
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46525050
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29325010
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 78776017
4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
CID 119830565
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 29324595) is 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide is Cc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is UDPDLCBWOHJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10-7-13(11(2)22-10)14(19)17-15-16-12(9-21-15)8-18-3-5-20-6-4-18/h7,9H,3-6,8H2,1-2H3,(H,16,17,19).
What are the key properties of 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 29324595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).