trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C14H15N3O3S2 — CID 99630404

IUPACtrans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2cccnc2)s1
InChIInChI=1S/C14H15N3O3S2/c1-8-14(21-9(2)16-8)22(19,20)17-13(18)12-6-11(12)10-4-3-5-15-7-10/h3-5,7,11-12H,6H2,1-2H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyMUNFGRWDJQWHKE-NWDGAFQWSA-N
MW337.43 g/mol
LogP1.76
Rot. Bonds4

About trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 99630404) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID99630404
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Nametrans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2cccnc2)s1
InChIInChI=1S/C14H15N3O3S2/c1-8-14(21-9(2)16-8)22(19,20)17-13(18)12-6-11(12)10-4-3-5-15-7-10/h3-5,7,11-12H,6H2,1-2H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyMUNFGRWDJQWHKE-NWDGAFQWSA-N
XLogP1.76
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 99630404) is trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is Cc1nc(C)c(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2cccnc2)s1.
What is the InChIKey of trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is MUNFGRWDJQWHKE-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-8-14(21-9(2)16-8)22(19,20)17-13(18)12-6-11(12)10-4-3-5-15-7-10/h3-5,7,11-12H,6H2,1-2H3,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 99630404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).