N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C14H17F2N5OS — CID 75469278

IUPACN-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CNc2ccn(CC(F)F)n2)cs1)C1CC1
InChIInChI=1S/C14H17F2N5OS/c1-9(22)21(11-2-3-11)14-18-10(8-23-14)6-17-13-4-5-20(19-13)7-12(15)16/h4-5,8,11-12H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyVRZVBXMSMUJNAF-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.73
Rot. Bonds7

About N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75469278) has the molecular formula C14H17F2N5OS and a molecular weight of 341.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75469278
Molecular FormulaC14H17F2N5OS
Molecular Weight341.39 g/mol
Exact Mass341.11
IUPAC NameN-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CNc2ccn(CC(F)F)n2)cs1)C1CC1
InChIInChI=1S/C14H17F2N5OS/c1-9(22)21(11-2-3-11)14-18-10(8-23-14)6-17-13-4-5-20(19-13)7-12(15)16/h4-5,8,11-12H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyVRZVBXMSMUJNAF-UHFFFAOYSA-N
XLogP2.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 75469278) is N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CNc2ccn(CC(F)F)n2)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VRZVBXMSMUJNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5OS/c1-9(22)21(11-2-3-11)14-18-10(8-23-14)6-17-13-4-5-20(19-13)7-12(15)16/h4-5,8,11-12H,2-3,6-7H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 341.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75469278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).