N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide

C15H20N4OS — CID 50963226

IUPACN-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(C)Cc2n[nH]c3c2CCC3)cs1
InChIInChI=1S/C15H20N4OS/c1-3-5-14-16-13(9-21-14)15(20)19(2)8-12-10-6-4-7-11(10)17-18-12/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyIJHZHIXTINMDRU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.58
Rot. Bonds5

About N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 50963226) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID50963226
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(C)Cc2n[nH]c3c2CCC3)cs1
InChIInChI=1S/C15H20N4OS/c1-3-5-14-16-13(9-21-14)15(20)19(2)8-12-10-6-4-7-11(10)17-18-12/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyIJHZHIXTINMDRU-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 50963226) is N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N(C)Cc2n[nH]c3c2CCC3)cs1.
What is the InChIKey of N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IJHZHIXTINMDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-5-14-16-13(9-21-14)15(20)19(2)8-12-10-6-4-7-11(10)17-18-12/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50963226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).