2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

C14H15ClN4S2 — CID 103321841

IUPAC2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(CC)c3nccs3)nc(Cl)nc2s1
InChIInChI=1S/C14H15ClN4S2/c1-3-8-7-9-11(18-14(15)19-12(9)21-8)17-10(4-2)13-16-5-6-20-13/h5-7,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyHCMFSLZPOZIEBL-UHFFFAOYSA-N
MW338.89 g/mol
LogP4.93
Rot. Bonds5

About 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321841) has the molecular formula C14H15ClN4S2 and a molecular weight of 338.89 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321841
Molecular FormulaC14H15ClN4S2
Molecular Weight338.89 g/mol
Exact Mass338.04
IUPAC Name2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(CC)c3nccs3)nc(Cl)nc2s1
InChIInChI=1S/C14H15ClN4S2/c1-3-8-7-9-11(18-14(15)19-12(9)21-8)17-10(4-2)13-16-5-6-20-13/h5-7,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyHCMFSLZPOZIEBL-UHFFFAOYSA-N
XLogP4.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.89
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-ethyl-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320947
5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 79072717
6-ethyl-2-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333941
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
2-chloro-6-ethyl-N-pent-4-yn-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 114156800
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106214406
4-amino-2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 82066413
2-chloro-6-ethyl-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 106293411
2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322700
2-chloro-6-ethyl-N-[1-(furan-2-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 103320972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (CID 103321841) is 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC(CC)c3nccs3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HCMFSLZPOZIEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S2/c1-3-8-7-9-11(18-14(15)19-12(9)21-8)17-10(4-2)13-16-5-6-20-13/h5-7,10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.89 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).