N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide

C18H26N4OS — CID 33040554

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C18H26N4OS/c1-11(2)10-22-13(4)14(12(3)21-22)8-9-17(23)20-18-19-15-6-5-7-16(15)24-18/h11H,5-10H2,1-4H3,(H,19,20,23)
InChIKeyCDUBSLBPNXBNGM-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.67
Rot. Bonds6

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide (PubChem CID 33040554) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
PubChem CID33040554
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C18H26N4OS/c1-11(2)10-22-13(4)14(12(3)21-22)8-9-17(23)20-18-19-15-6-5-7-16(15)24-18/h11H,5-10H2,1-4H3,(H,19,20,23)
InChIKeyCDUBSLBPNXBNGM-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
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N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43021005
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
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CID 24502572
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70788434
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
3-(2,6-difluorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 55652063
N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide (CID 33040554) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?
The InChIKey is CDUBSLBPNXBNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-11(2)10-22-13(4)14(12(3)21-22)8-9-17(23)20-18-19-15-6-5-7-16(15)24-18/h11H,5-10H2,1-4H3,(H,19,20,23).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide has a molecular weight of 346.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 33040554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).