N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine

C12H12N4S2 — CID 104577253

IUPACN-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC(CNc1ncnc2ccsc12)c1nccs1
InChIInChI=1S/C12H12N4S2/c1-8(12-13-3-5-18-12)6-14-11-10-9(2-4-17-10)15-7-16-11/h2-5,7-8H,6H2,1H3,(H,14,15,16)
InChIKeyAYEFSSHMVIGLJK-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine

N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 104577253) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID104577253
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC NameN-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC(CNc1ncnc2ccsc12)c1nccs1
InChIInChI=1S/C12H12N4S2/c1-8(12-13-3-5-18-12)6-14-11-10-9(2-4-17-10)15-7-16-11/h2-5,7-8H,6H2,1H3,(H,14,15,16)
InChIKeyAYEFSSHMVIGLJK-UHFFFAOYSA-N
XLogP3.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 66108387
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine
CID 65027338
N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thieno[3,2-d]pyrimidin-4-amine
CID 32807443
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 104576315
6-N-methyl-5-nitro-4-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 104577302
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
6-chloro-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 114128802
3-ethoxy-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 114127933
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine (CID 104577253) is N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine is CC(CNc1ncnc2ccsc12)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is AYEFSSHMVIGLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-8(12-13-3-5-18-12)6-14-11-10-9(2-4-17-10)15-7-16-11/h2-5,7-8H,6H2,1H3,(H,14,15,16).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 276.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 104577253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).