N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

C25H31Cl2N5O2S — CID 66785735

IUPACN-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCC(C)N1CCc2nc(C(=O)NC3CCCCC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
InChIInChI=1S/C25H30ClN5O2S.ClH/c1-14(2)31-10-8-18-20(13-31)34-24(29-18)23(33)30-21-5-3-4-9-25(21,27)22(32)19-12-15-11-16(26)6-7-17(15)28-19;/h6-7,11-12,14,21,28H,3-5,8-10,13,27H2,1-2H3,(H,30,33);1H
InChIKeyWLSPAKKCIZUBPY-UHFFFAOYSA-N
MW536.53 g/mol
LogP4.72
Rot. Bonds5

About N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 66785735) has the molecular formula C25H31Cl2N5O2S and a molecular weight of 536.53 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
PubChem CID66785735
Molecular FormulaC25H31Cl2N5O2S
Molecular Weight536.53 g/mol
Exact Mass535.16
IUPAC NameN-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCC(C)N1CCc2nc(C(=O)NC3CCCCC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
InChIInChI=1S/C25H30ClN5O2S.ClH/c1-14(2)31-10-8-18-20(13-31)34-24(29-18)23(33)30-21-5-3-4-9-25(21,27)22(32)19-12-15-11-16(26)6-7-17(15)28-19;/h6-7,11-12,14,21,28H,3-5,8-10,13,27H2,1-2H3,(H,30,33);1H
InChIKeyWLSPAKKCIZUBPY-UHFFFAOYSA-N
XLogP4.72
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.53
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 66785735) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CC(C)N1CCc2nc(C(=O)NC3CCCCC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl.
What is the InChIKey of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The InChIKey is WLSPAKKCIZUBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2S.ClH/c1-14(2)31-10-8-18-20(13-31)34-24(29-18)23(33)30-21-5-3-4-9-25(21,27)22(32)19-12-15-11-16(26)6-7-17(15)28-19;/h6-7,11-12,14,21,28H,3-5,8-10,13,27H2,1-2H3,(H,30,33);1H.
What are the key properties of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 536.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66785735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).