4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine

C15H21ClN4S — CID 114925749

IUPAC4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cscn1)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H21ClN4S/c1-15(2,3)19-6-11-5-14(17-7-13(11)16)20(4)8-12-9-21-10-18-12/h5,7,9-10,19H,6,8H2,1-4H3
InChIKeyHHGKJLBZJGPSKT-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.72
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine

4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (PubChem CID 114925749) has the molecular formula C15H21ClN4S and a molecular weight of 324.88 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
PubChem CID114925749
Molecular FormulaC15H21ClN4S
Molecular Weight324.88 g/mol
Exact Mass324.12
IUPAC Name4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cscn1)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H21ClN4S/c1-15(2,3)19-6-11-5-14(17-7-13(11)16)20(4)8-12-9-21-10-18-12/h5,7,9-10,19H,6,8H2,1-4H3
InChIKeyHHGKJLBZJGPSKT-UHFFFAOYSA-N
XLogP3.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283705
N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114926497
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 80636496
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282315
3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
CID 115001003
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (CID 114925749) is 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is CN(Cc1cscn1)c1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The InChIKey is HHGKJLBZJGPSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4S/c1-15(2,3)19-6-11-5-14(17-7-13(11)16)20(4)8-12-9-21-10-18-12/h5,7,9-10,19H,6,8H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine has a molecular weight of 324.88 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114925749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).