3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide

C19H26N4O2S2 — CID 16622399

IUPAC3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(-c2csc(NC(=O)CCNC(=O)NC3CCCCC3)n2)c(C)s1
InChIInChI=1S/C19H26N4O2S2/c1-12-10-15(13(2)27-12)16-11-26-19(22-16)23-17(24)8-9-20-18(25)21-14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,25)(H,22,23,24)
InChIKeyOMTSEYDIILJTNW-UHFFFAOYSA-N
MW406.58 g/mol
LogP4.45
Rot. Bonds6

About 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide

3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 16622399) has the molecular formula C19H26N4O2S2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID16622399
Molecular FormulaC19H26N4O2S2
Molecular Weight406.58 g/mol
Exact Mass406.15
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(-c2csc(NC(=O)CCNC(=O)NC3CCCCC3)n2)c(C)s1
InChIInChI=1S/C19H26N4O2S2/c1-12-10-15(13(2)27-12)16-11-26-19(22-16)23-17(24)8-9-20-18(25)21-14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,25)(H,22,23,24)
InChIKeyOMTSEYDIILJTNW-UHFFFAOYSA-N
XLogP4.45
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16622526
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 17456732
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 17492513
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093642
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 27377337
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16600867
1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080414
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24597108
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide (CID 16622399) is 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide is Cc1cc(-c2csc(NC(=O)CCNC(=O)NC3CCCCC3)n2)c(C)s1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is OMTSEYDIILJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S2/c1-12-10-15(13(2)27-12)16-11-26-19(22-16)23-17(24)8-9-20-18(25)21-14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,25)(H,22,23,24).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 406.58 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 16622399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).