4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine

C11H20N4S — CID 103360229

IUPAC4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCN(C)CC1
InChIInChI=1S/C11H20N4S/c1-8-10(12)14-16-11(8)13-7-9-3-5-15(2)6-4-9/h9,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyXIXALFUVHKRWLK-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.79
Rot. Bonds3

About 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine

4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103360229) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103360229
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCN(C)CC1
InChIInChI=1S/C11H20N4S/c1-8-10(12)14-16-11(8)13-7-9-3-5-15(2)6-4-9/h9,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyXIXALFUVHKRWLK-UHFFFAOYSA-N
XLogP1.79
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363934
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103361725
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241
5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 107165740
4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359238
4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327709
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103365642

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103360229) is 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC1CCN(C)CC1.
What is the InChIKey of 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is XIXALFUVHKRWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8-10(12)14-16-11(8)13-7-9-3-5-15(2)6-4-9/h9,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).