N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C20H20ClN5O2S — CID 10137523

IUPACN-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C20H20ClN5O2S/c1-26-5-4-13-17(9-26)29-20(25-13)19(28)24-15-8-14(15)23-18(27)16-7-10-6-11(21)2-3-12(10)22-16/h2-3,6-7,14-15,22H,4-5,8-9H2,1H3,(H,23,27)(H,24,28)/t14-,15+/m0/s1
InChIKeyUHUYUJQWGJTBKA-LSDHHAIUSA-N
MW429.93 g/mol
LogP2.57
Rot. Bonds4

About N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 10137523) has the molecular formula C20H20ClN5O2S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID10137523
Molecular FormulaC20H20ClN5O2S
Molecular Weight429.93 g/mol
Exact Mass429.10
IUPAC NameN-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C20H20ClN5O2S/c1-26-5-4-13-17(9-26)29-20(25-13)19(28)24-15-8-14(15)23-18(27)16-7-10-6-11(21)2-3-12(10)22-16/h2-3,6-7,14-15,22H,4-5,8-9H2,1H3,(H,23,27)(H,24,28)/t14-,15+/m0/s1
InChIKeyUHUYUJQWGJTBKA-LSDHHAIUSA-N
XLogP2.57
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 10137523) is N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.
What is the InChIKey of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is UHUYUJQWGJTBKA-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H20ClN5O2S/c1-26-5-4-13-17(9-26)29-20(25-13)19(28)24-15-8-14(15)23-18(27)16-7-10-6-11(21)2-3-12(10)22-16/h2-3,6-7,14-15,22H,4-5,8-9H2,1H3,(H,23,27)(H,24,28)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 10137523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).