2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

C12H14N6S2 — CID 91646376

IUPAC2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCCc1nc(Sc2nnnn2C(C)C)c2ccsc2n1
InChIInChI=1S/C12H14N6S2/c1-4-9-13-10-8(5-6-19-10)11(14-9)20-12-15-16-17-18(12)7(2)3/h5-7H,4H2,1-3H3
InChIKeyNQOQHPIWDARNFB-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.97
Rot. Bonds4

About 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 91646376) has the molecular formula C12H14N6S2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID91646376
Molecular FormulaC12H14N6S2
Molecular Weight306.42 g/mol
Exact Mass306.07
IUPAC Name2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCCc1nc(Sc2nnnn2C(C)C)c2ccsc2n1
InChIInChI=1S/C12H14N6S2/c1-4-9-13-10-8(5-6-19-10)11(14-9)20-12-15-16-17-18(12)7(2)3/h5-7H,4H2,1-3H3
InChIKeyNQOQHPIWDARNFB-UHFFFAOYSA-N
XLogP2.97
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-Methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 2139595
N,N-diethylthieno[2,3-d]pyrimidin-4-amine
CID 2808589
5-Iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 44825285
3-cyclopropyl-4-methyl-5-{thieno[2,3-d]pyrimidin-4-ylsulfanyl}-4H-1,2,4-triazole
CID 17463099
3-ethyl-5-{thieno[2,3-d]pyrimidin-4-ylsulfanyl}-4H-1,2,4-triazole
CID 18168020
4-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53599016
4-(1-Methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 2377964
N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 45931314
4-[2-(1,2,4-Triazol-1-ylmethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 53567264
4-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 53573268
4-[3-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53589593
4-[2-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 72144397

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (CID 91646376) is 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is CCc1nc(Sc2nnnn2C(C)C)c2ccsc2n1.
What is the InChIKey of 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is NQOQHPIWDARNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S2/c1-4-9-13-10-8(5-6-19-10)11(14-9)20-12-15-16-17-18(12)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 306.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91646376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).