N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine

C18H15N7S2 — CID 46883054

IUPACN-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc2[nH]c(Nc3ncc(CCNc4ncnc5ccsc45)s3)nc2c1
InChIInChI=1S/C18H15N7S2/c1-2-4-13-12(3-1)23-17(24-13)25-18-20-9-11(27-18)5-7-19-16-15-14(6-8-26-15)21-10-22-16/h1-4,6,8-10H,5,7H2,(H,19,21,22)(H2,20,23,24,25)
InChIKeyCPSQBCZJMZEPOE-UHFFFAOYSA-N
MW393.50 g/mol
LogP4.42
Rot. Bonds6

About N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 46883054) has the molecular formula C18H15N7S2 and a molecular weight of 393.50 g/mol. Its IUPAC name is N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID46883054
Molecular FormulaC18H15N7S2
Molecular Weight393.50 g/mol
Exact Mass393.08
IUPAC NameN-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc2[nH]c(Nc3ncc(CCNc4ncnc5ccsc45)s3)nc2c1
InChIInChI=1S/C18H15N7S2/c1-2-4-13-12(3-1)23-17(24-13)25-18-20-9-11(27-18)5-7-19-16-15-14(6-8-26-15)21-10-22-16/h1-4,6,8-10H,5,7H2,(H,19,21,22)(H2,20,23,24,25)
InChIKeyCPSQBCZJMZEPOE-UHFFFAOYSA-N
XLogP4.42
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 46883054) is N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine is c1ccc2[nH]c(Nc3ncc(CCNc4ncnc5ccsc45)s3)nc2c1.
What is the InChIKey of N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CPSQBCZJMZEPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7S2/c1-2-4-13-12(3-1)23-17(24-13)25-18-20-9-11(27-18)5-7-19-16-15-14(6-8-26-15)21-10-22-16/h1-4,6,8-10H,5,7H2,(H,19,21,22)(H2,20,23,24,25).
What are the key properties of N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 393.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-benzimidazol-2-ylamino)-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 46883054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).