4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine

C10H12N4S2 — CID 103361684

IUPAC4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2cscn2)c1C1CC1
InChIInChI=1S/C10H12N4S2/c11-9-8(6-1-2-6)10(16-14-9)12-3-7-4-15-5-13-7/h4-6,12H,1-3H2,(H2,11,14)
InChIKeyLLYBKUXKNIVOBP-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.67
Rot. Bonds4

About 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361684) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103361684
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2cscn2)c1C1CC1
InChIInChI=1S/C10H12N4S2/c11-9-8(6-1-2-6)10(16-14-9)12-3-7-4-15-5-13-7/h4-6,12H,1-3H2,(H2,11,14)
InChIKeyLLYBKUXKNIVOBP-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65274563
5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103363284
4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364183
4-cyclopropyl-5-N-(2-cyclopropylethyl)-1,2-thiazole-3,5-diamine
CID 103359905
5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103365365
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
CID 103363978
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361091
5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103363356
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103359522
4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103361131

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103361684) is 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCc2cscn2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is LLYBKUXKNIVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c11-9-8(6-1-2-6)10(16-14-9)12-3-7-4-15-5-13-7/h4-6,12H,1-3H2,(H2,11,14).
What are the key properties of 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 252.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).