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

C11H11N5S2 — CID 39746305

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CCNc2ncnc3sccc23)cs1
InChIInChI=1S/C11H11N5S2/c12-11-16-7(5-18-11)1-3-13-9-8-2-4-17-10(8)15-6-14-9/h2,4-6H,1,3H2,(H2,12,16)(H,13,14,15)
InChIKeyDMAMMCNYGBVGLH-UHFFFAOYSA-N
MW277.38 g/mol
LogP2.38
Rot. Bonds4

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

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 39746305) has the molecular formula C11H11N5S2 and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID39746305
Molecular FormulaC11H11N5S2
Molecular Weight277.38 g/mol
Exact Mass277.05
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CCNc2ncnc3sccc23)cs1
InChIInChI=1S/C11H11N5S2/c12-11-16-7(5-18-11)1-3-13-9-8-2-4-17-10(8)15-6-14-9/h2,4-6H,1,3H2,(H2,12,16)(H,13,14,15)
InChIKeyDMAMMCNYGBVGLH-UHFFFAOYSA-N
XLogP2.38
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 67600724
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine
CID 72902145
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 126840173
N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 49430878

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 39746305) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CCNc2ncnc3sccc23)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DMAMMCNYGBVGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S2/c12-11-16-7(5-18-11)1-3-13-9-8-2-4-17-10(8)15-6-14-9/h2,4-6H,1,3H2,(H2,12,16)(H,13,14,15).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 39746305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).