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

C10H8N4S2 — CID 49430878

IUPACN-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NCc2cscn2)c2ccsc2n1
InChIInChI=1S/C10H8N4S2/c1-2-16-10-8(1)9(12-5-13-10)11-3-7-4-15-6-14-7/h1-2,4-6H,3H2,(H,11,12,13)
InChIKeyCDPYGYASHWZFPW-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.76
Rot. Bonds3

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

N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 49430878) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID49430878
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC NameN-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NCc2cscn2)c2ccsc2n1
InChIInChI=1S/C10H8N4S2/c1-2-16-10-8(1)9(12-5-13-10)11-3-7-4-15-6-14-7/h1-2,4-6H,3H2,(H,11,12,13)
InChIKeyCDPYGYASHWZFPW-UHFFFAOYSA-N
XLogP2.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 49430878) is N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is c1nc(NCc2cscn2)c2ccsc2n1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CDPYGYASHWZFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c1-2-16-10-8(1)9(12-5-13-10)11-3-7-4-15-6-14-7/h1-2,4-6H,3H2,(H,11,12,13).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 248.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 49430878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).