5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine

C9H13N5S — CID 103359501

IUPAC5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCn1ccnc1
InChIInChI=1S/C9H13N5S/c1-7-8(10)13-15-9(7)12-3-5-14-4-2-11-6-14/h2,4,6,12H,3,5H2,1H3,(H2,10,13)
InChIKeyKYCJYOUCQKOCKD-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.34
Rot. Bonds4

About 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103359501) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103359501
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCn1ccnc1
InChIInChI=1S/C9H13N5S/c1-7-8(10)13-15-9(7)12-3-5-14-4-2-11-6-14/h2,4,6,12H,3,5H2,1H3,(H2,10,13)
InChIKeyKYCJYOUCQKOCKD-UHFFFAOYSA-N
XLogP1.34
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382745
5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360334
4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103365106
ethyl 3-amino-5-(3-imidazol-1-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 103382747
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750
4-ethylsulfonyl-5-N-(4-imidazol-1-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360335
4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364171
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine
CID 130782234
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103359501) is 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCCn1ccnc1.
What is the InChIKey of 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is KYCJYOUCQKOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-7-8(10)13-15-9(7)12-3-5-14-4-2-11-6-14/h2,4,6,12H,3,5H2,1H3,(H2,10,13).
What are the key properties of 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 223.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).