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

C18H25N5O3S — CID 154616790

IUPAC[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnc(C)s3)n[nH]2)C1
InChIInChI=1S/C18H25N5O3S/c1-3-6-19-18(25)26-13-5-4-12(7-13)15-9-16(23-22-15)21-17(24)8-14-10-20-11(2)27-14/h9-10,12-13H,3-8H2,1-2H3,(H,19,25)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKeyGKHHUBIATSKJHG-QWHCGFSZSA-N
MW391.50 g/mol
LogP3.13
Rot. Bonds7

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

[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 154616790) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
PubChem CID154616790
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnc(C)s3)n[nH]2)C1
InChIInChI=1S/C18H25N5O3S/c1-3-6-19-18(25)26-13-5-4-12(7-13)15-9-16(23-22-15)21-17(24)8-14-10-20-11(2)27-14/h9-10,12-13H,3-8H2,1-2H3,(H,19,25)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKeyGKHHUBIATSKJHG-QWHCGFSZSA-N
XLogP3.13
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.13
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-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 154616790) is [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnc(C)s3)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is GKHHUBIATSKJHG-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-6-19-18(25)26-13-5-4-12(7-13)15-9-16(23-22-15)21-17(24)8-14-10-20-11(2)27-14/h9-10,12-13H,3-8H2,1-2H3,(H,19,25)(H2,21,22,23,24)/t12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 391.50 g/mol, XLogP of 3.13, 7 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-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 154616790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).