5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine

C12H17ClN4S2 — CID 155377386

IUPAC5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)c1csc(NCC(C)c2nc(N)sc2Cl)n1
InChIInChI=1S/C12H17ClN4S2/c1-6(2)8-5-18-12(16-8)15-4-7(3)9-10(13)19-11(14)17-9/h5-7H,4H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyZTTFPDLYMWDGGY-UHFFFAOYSA-N
MW316.88 g/mol
LogP4.17
Rot. Bonds5

About 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine

5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine (PubChem CID 155377386) has the molecular formula C12H17ClN4S2 and a molecular weight of 316.88 g/mol. Its IUPAC name is 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine
PubChem CID155377386
Molecular FormulaC12H17ClN4S2
Molecular Weight316.88 g/mol
Exact Mass316.06
IUPAC Name5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)c1csc(NCC(C)c2nc(N)sc2Cl)n1
InChIInChI=1S/C12H17ClN4S2/c1-6(2)8-5-18-12(16-8)15-4-7(3)9-10(13)19-11(14)17-9/h5-7H,4H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyZTTFPDLYMWDGGY-UHFFFAOYSA-N
XLogP4.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine (CID 155377386) is 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine is CC(C)c1csc(NCC(C)c2nc(N)sc2Cl)n1.
What is the InChIKey of 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is ZTTFPDLYMWDGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4S2/c1-6(2)8-5-18-12(16-8)15-4-7(3)9-10(13)19-11(14)17-9/h5-7H,4H2,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine?
5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 316.88 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155377386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).