[(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

C19H27N5O3S — CID 154616873

IUPAC[(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCc1cnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)[nH]n2)s1
InChIInChI=1S/C19H27N5O3S/c1-11-10-20-17(28-11)9-16(25)21-15-8-14(23-24-15)12-5-6-13(7-12)27-18(26)22-19(2,3)4/h8,10,12-13H,5-7,9H2,1-4H3,(H,22,26)(H2,21,23,24,25)/t12-,13+/m0/s1
InChIKeyHGZKWNLNOXSJMJ-QWHCGFSZSA-N
MW405.52 g/mol
LogP3.52
Rot. Bonds5

About [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

[(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (PubChem CID 154616873) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
PubChem CID154616873
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name[(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCc1cnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)[nH]n2)s1
InChIInChI=1S/C19H27N5O3S/c1-11-10-20-17(28-11)9-16(25)21-15-8-14(23-24-15)12-5-6-13(7-12)27-18(26)22-19(2,3)4/h8,10,12-13H,5-7,9H2,1-4H3,(H,22,26)(H2,21,23,24,25)/t12-,13+/m0/s1
InChIKeyHGZKWNLNOXSJMJ-QWHCGFSZSA-N
XLogP3.52
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (CID 154616873) is [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is Cc1cnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)[nH]n2)s1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The InChIKey is HGZKWNLNOXSJMJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-11-10-20-17(28-11)9-16(25)21-15-8-14(23-24-15)12-5-6-13(7-12)27-18(26)22-19(2,3)4/h8,10,12-13H,5-7,9H2,1-4H3,(H,22,26)(H2,21,23,24,25)/t12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
[(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate has a molecular weight of 405.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is sourced from PubChem (CID 154616873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).