N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine

C10H12N4S — CID 107588200

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
SMILESCc1nc(C(C)Nc2cncnc2)cs1
InChIInChI=1S/C10H12N4S/c1-7(10-5-15-8(2)14-10)13-9-3-11-6-12-4-9/h3-7,13H,1-2H3
InChIKeyQZJGPYGRQQTTQW-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.41
Rot. Bonds3

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine (PubChem CID 107588200) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
PubChem CID107588200
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
SMILESCc1nc(C(C)Nc2cncnc2)cs1
InChIInChI=1S/C10H12N4S/c1-7(10-5-15-8(2)14-10)13-9-3-11-6-12-4-9/h3-7,13H,1-2H3
InChIKeyQZJGPYGRQQTTQW-UHFFFAOYSA-N
XLogP2.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418
4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 43670343
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202
3,5-dichloro-4-(difluoromethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 60935520
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine (CID 107588200) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine is Cc1nc(C(C)Nc2cncnc2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine?
The InChIKey is QZJGPYGRQQTTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7(10-5-15-8(2)14-10)13-9-3-11-6-12-4-9/h3-7,13H,1-2H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine has a molecular weight of 220.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine is sourced from PubChem (CID 107588200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).