CID 159175397

C15H19N5S2 — CID 159175397

IUPAC—
SMILESCc1nc(N)nc(N[C@H]2c3ccccc3CC[C@@H]2C)n1.S=S
InChIInChI=1S/C15H19N5.S2/c1-9-7-8-11-5-3-4-6-12(11)13(9)19-15-18-10(2)17-14(16)20-15;1-2/h3-6,9,13H,7-8H2,1-2H3,(H3,16,17,18,19,20);/t9-,13+;/m0./s1
InChIKeyKMFCQJMPUGSTMV-BTJVGWIPSA-N
MW333.49 g/mol
LogP2.49
Rot. Bonds2

About CID 159175397

CID 159175397 (PubChem CID 159175397) has the molecular formula C15H19N5S2 and a molecular weight of 333.49 g/mol.

Molecular Properties

Compound NameCID 159175397
PubChem CID159175397
Molecular FormulaC15H19N5S2
Molecular Weight333.49 g/mol
Exact Mass333.11
IUPAC Name—
SMILESCc1nc(N)nc(N[C@H]2c3ccccc3CC[C@@H]2C)n1.S=S
InChIInChI=1S/C15H19N5.S2/c1-9-7-8-11-5-3-4-6-12(11)13(9)19-15-18-10(2)17-14(16)20-15;1-2/h3-6,9,13H,7-8H2,1-2H3,(H3,16,17,18,19,20);/t9-,13+;/m0./s1
InChIKeyKMFCQJMPUGSTMV-BTJVGWIPSA-N
XLogP2.49
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 133430991
3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol
CID 143929032
2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 58590408
N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyrido[2,3-b]pyrazin-6-amine
CID 97328892
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
6-ethyl-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
CID 67072813
1-cyclopropyl-N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
CID 97257089
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile
CID 133430985
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780
6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797018
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
CID 133309901

Frequently Asked Questions

What is the IUPAC name of CID 159175397?
The IUPAC name of CID 159175397 (CID 159175397) is not available.
What is the SMILES notation for CID 159175397?
The canonical SMILES for CID 159175397 is Cc1nc(N)nc(N[C@H]2c3ccccc3CC[C@@H]2C)n1.S=S.
What is the InChIKey of CID 159175397?
The InChIKey is KMFCQJMPUGSTMV-BTJVGWIPSA-N. The full InChI is InChI=1S/C15H19N5.S2/c1-9-7-8-11-5-3-4-6-12(11)13(9)19-15-18-10(2)17-14(16)20-15;1-2/h3-6,9,13H,7-8H2,1-2H3,(H3,16,17,18,19,20);/t9-,13+;/m0./s1.
What are the key properties of CID 159175397?
CID 159175397 has a molecular weight of 333.49 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159175397 is sourced from PubChem (CID 159175397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).