N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

C10H14N4S2 — CID 115777221

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nc(CNc2nncs2)cs1
InChIInChI=1S/C10H14N4S2/c1-10(2,3)8-13-7(5-15-8)4-11-9-14-12-6-16-9/h5-6H,4H2,1-3H3,(H,11,14)
InChIKeyLTYJMOAZOVYWCL-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.90
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 115777221) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID115777221
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nc(CNc2nncs2)cs1
InChIInChI=1S/C10H14N4S2/c1-10(2,3)8-13-7(5-15-8)4-11-9-14-12-6-16-9/h5-6H,4H2,1-3H3,(H,11,14)
InChIKeyLTYJMOAZOVYWCL-UHFFFAOYSA-N
XLogP2.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 113243337
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 113362922
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline
CID 115686019
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3,4-difluoroaniline
CID 115694591
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 115603242
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664412
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
CID 115715580

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 115777221) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CC(C)(C)c1nc(CNc2nncs2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LTYJMOAZOVYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-10(2,3)8-13-7(5-15-8)4-11-9-14-12-6-16-9/h5-6H,4H2,1-3H3,(H,11,14).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115777221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).