4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C12H15ClN6S — CID 63283548

IUPAC4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ncsc1CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H15ClN6S/c1-8-9(20-7-15-8)6-14-11-16-10(13)17-12(18-11)19-4-2-3-5-19/h7H,2-6H2,1H3,(H,14,16,17,18)
InChIKeyHAEWHPSAZHNEKH-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.50
Rot. Bonds4

About 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 63283548) has the molecular formula C12H15ClN6S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID63283548
Molecular FormulaC12H15ClN6S
Molecular Weight310.81 g/mol
Exact Mass310.08
IUPAC Name4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ncsc1CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H15ClN6S/c1-8-9(20-7-15-8)6-14-11-16-10(13)17-12(18-11)19-4-2-3-5-19/h7H,2-6H2,1H3,(H,14,16,17,18)
InChIKeyHAEWHPSAZHNEKH-UHFFFAOYSA-N
XLogP2.50
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865334
4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106193154
4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62863628
4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106375383
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 63283548) is 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Cc1ncsc1CNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HAEWHPSAZHNEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6S/c1-8-9(20-7-15-8)6-14-11-16-10(13)17-12(18-11)19-4-2-3-5-19/h7H,2-6H2,1H3,(H,14,16,17,18).
What are the key properties of 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 310.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63283548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).