CID 170792174

C17H20IN4S2- — CID 170792174

IUPAC—
SMILESCc1c(C[C@H](C)N)sc2c(NCc3nccs3)cc(C3C[I-]3)nc12
InChIInChI=1S/C17H20IN4S2/c1-9(19)5-14-10(2)16-17(24-14)13(6-12(22-16)11-7-18-11)21-8-15-20-3-4-23-15/h3-4,6,9,11H,5,7-8,19H2,1-2H3,(H,21,22)/q-1/t9-,11?/m0/s1
InChIKeyMOKOSZVUPQEJHJ-FTNKSUMCSA-N
MW471.41 g/mol
LogP0.71
Rot. Bonds6

About CID 170792174

CID 170792174 (PubChem CID 170792174) has the molecular formula C17H20IN4S2- and a molecular weight of 471.41 g/mol.

Molecular Properties

Compound NameCID 170792174
PubChem CID170792174
Molecular FormulaC17H20IN4S2-
Molecular Weight471.41 g/mol
Exact Mass471.02
IUPAC Name—
SMILESCc1c(C[C@H](C)N)sc2c(NCc3nccs3)cc(C3C[I-]3)nc12
InChIInChI=1S/C17H20IN4S2/c1-9(19)5-14-10(2)16-17(24-14)13(6-12(22-16)11-7-18-11)21-8-15-20-3-4-23-15/h3-4,6,9,11H,5,7-8,19H2,1-2H3,(H,21,22)/q-1/t9-,11?/m0/s1
InChIKeyMOKOSZVUPQEJHJ-FTNKSUMCSA-N
XLogP0.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162391096
bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 165101466
(3S)-3-amino-4-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol
CID 155059885
2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
CID 175365847
(2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
CID 165013836
2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 164968049
2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390977
6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
CID 170337879
6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 164865954
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 166063842
3-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-2-(trifluoromethylamino)propan-1-ol
CID 155060079

Frequently Asked Questions

What is the IUPAC name of CID 170792174?
The IUPAC name of CID 170792174 (CID 170792174) is not available.
What is the SMILES notation for CID 170792174?
The canonical SMILES for CID 170792174 is Cc1c(C[C@H](C)N)sc2c(NCc3nccs3)cc(C3C[I-]3)nc12.
What is the InChIKey of CID 170792174?
The InChIKey is MOKOSZVUPQEJHJ-FTNKSUMCSA-N. The full InChI is InChI=1S/C17H20IN4S2/c1-9(19)5-14-10(2)16-17(24-14)13(6-12(22-16)11-7-18-11)21-8-15-20-3-4-23-15/h3-4,6,9,11H,5,7-8,19H2,1-2H3,(H,21,22)/q-1/t9-,11?/m0/s1.
What are the key properties of CID 170792174?
CID 170792174 has a molecular weight of 471.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170792174 is sourced from PubChem (CID 170792174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).