trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride

C21H20ClN5OS — CID 67103556

IUPACtrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESC[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1ccccn1.Cl
InChIInChI=1S/C21H19N5OS.ClH/c1-12-9-15(12)20(27)23-21-18(17-5-3-4-8-22-17)19(25-28-21)13-6-7-16-14(10-13)11-26(2)24-16;/h3-8,10-12,15H,9H2,1-2H3,(H,23,27);1H/t12-,15-;/m1./s1
InChIKeyDWCHRRUESWWALO-XRZFDKQNSA-N
MW425.95 g/mol
LogP4.78
Rot. Bonds4

About trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride

trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 67103556) has the molecular formula C21H20ClN5OS and a molecular weight of 425.95 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID67103556
Molecular FormulaC21H20ClN5OS
Molecular Weight425.95 g/mol
Exact Mass425.11
IUPAC Nametrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESC[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1ccccn1.Cl
InChIInChI=1S/C21H19N5OS.ClH/c1-12-9-15(12)20(27)23-21-18(17-5-3-4-8-22-17)19(25-28-21)13-6-7-16-14(10-13)11-26(2)24-16;/h3-8,10-12,15H,9H2,1-2H3,(H,23,27);1H/t12-,15-;/m1./s1
InChIKeyDWCHRRUESWWALO-XRZFDKQNSA-N
XLogP4.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.95
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride (CID 67103556) is trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride is C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1ccccn1.Cl.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is DWCHRRUESWWALO-XRZFDKQNSA-N. The full InChI is InChI=1S/C21H19N5OS.ClH/c1-12-9-15(12)20(27)23-21-18(17-5-3-4-8-22-17)19(25-28-21)13-6-7-16-14(10-13)11-26(2)24-16;/h3-8,10-12,15H,9H2,1-2H3,(H,23,27);1H/t12-,15-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 425.95 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-pyridin-2-yl-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67103556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).