4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H17N3S — CID 15665770

IUPAC4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)C1CSC(Nc2cccnc2)=N1
InChIInChI=1S/C12H17N3S/c1-12(2,3)10-8-16-11(15-10)14-9-5-4-6-13-7-9/h4-7,10H,8H2,1-3H3,(H,14,15)
InChIKeyZQSXNSHXBXWJEE-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.01
Rot. Bonds1

About 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine

4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 15665770) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID15665770
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)C1CSC(Nc2cccnc2)=N1
InChIInChI=1S/C12H17N3S/c1-12(2,3)10-8-16-11(15-10)14-9-5-4-6-13-7-9/h4-7,10H,8H2,1-3H3,(H,14,15)
InChIKeyZQSXNSHXBXWJEE-UHFFFAOYSA-N
XLogP3.01
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 5169811
5,5-dimethyl-N-pyridin-3-yl-4,6-dihydro-1,3-thiazin-2-amine
CID 115360982
N-(2-tert-butylcyclohexyl)pyridin-3-amine
CID 43094868
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 11241486
N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439714
N-bromopyridin-3-amine
CID 87128938
4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351284
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine
CID 11030350
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 15665770) is 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)C1CSC(Nc2cccnc2)=N1.
What is the InChIKey of 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZQSXNSHXBXWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-12(2,3)10-8-16-11(15-10)14-9-5-4-6-13-7-9/h4-7,10H,8H2,1-3H3,(H,14,15).
What are the key properties of 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 15665770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).