4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide

C19H31N5O3S — CID 29324976

IUPAC4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C19H31N5O3S/c25-17(7-4-8-20-18(26)21-15-5-2-1-3-6-15)23-19-22-16(14-28-19)13-24-9-11-27-12-10-24/h14-15H,1-13H2,(H2,20,21,26)(H,22,23,25)
InChIKeyNRWVKIPONOXRGL-UHFFFAOYSA-N
MW409.56 g/mol
LogP2.33
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide

4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 29324976) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID29324976
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C19H31N5O3S/c25-17(7-4-8-20-18(26)21-15-5-2-1-3-6-15)23-19-22-16(14-28-19)13-24-9-11-27-12-10-24/h14-15H,1-13H2,(H2,20,21,26)(H,22,23,25)
InChIKeyNRWVKIPONOXRGL-UHFFFAOYSA-N
XLogP2.33
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 30547785
3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 47044892
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 31005479
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
N-cyclohexyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386943
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830544
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
1-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119830558

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide (CID 29324976) is 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide is O=C(CCCNC(=O)NC1CCCCC1)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is NRWVKIPONOXRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3S/c25-17(7-4-8-20-18(26)21-15-5-2-1-3-6-15)23-19-22-16(14-28-19)13-24-9-11-27-12-10-24/h14-15H,1-13H2,(H2,20,21,26)(H,22,23,25).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 409.56 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 29324976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).