propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate

C19H29N5O2S — CID 164879494

IUPACpropan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2cc(Nc3ccsn3)nn2C(C)(C)C)C1
InChIInChI=1S/C19H29N5O2S/c1-12(2)26-18(25)20-14-7-6-13(10-14)15-11-17(21-16-8-9-27-23-16)22-24(15)19(3,4)5/h8-9,11-14H,6-7,10H2,1-5H3,(H,20,25)(H,21,22,23)
InChIKeyDWMJOJOTOAAJSR-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.61
Rot. Bonds5

About propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate

propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate (PubChem CID 164879494) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate
PubChem CID164879494
Molecular FormulaC19H29N5O2S
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC Namepropan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2cc(Nc3ccsn3)nn2C(C)(C)C)C1
InChIInChI=1S/C19H29N5O2S/c1-12(2)26-18(25)20-14-7-6-13(10-14)15-11-17(21-16-8-9-27-23-16)22-24(15)19(3,4)5/h8-9,11-14H,6-7,10H2,1-5H3,(H,20,25)(H,21,22,23)
InChIKeyDWMJOJOTOAAJSR-UHFFFAOYSA-N
XLogP4.61
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate?
The IUPAC name of propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate (CID 164879494) is propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate is CC(C)OC(=O)NC1CCC(c2cc(Nc3ccsn3)nn2C(C)(C)C)C1.
What is the InChIKey of propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate?
The InChIKey is DWMJOJOTOAAJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c1-12(2)26-18(25)20-14-7-6-13(10-14)15-11-17(21-16-8-9-27-23-16)22-24(15)19(3,4)5/h8-9,11-14H,6-7,10H2,1-5H3,(H,20,25)(H,21,22,23).
What are the key properties of propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate?
propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate has a molecular weight of 391.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[1-tert-butyl-3-(1,2-thiazol-3-ylamino)pyrazol-5-yl]cyclopentyl]carbamate is sourced from PubChem (CID 164879494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).