N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine

C14H19N3S — CID 60875705

IUPACN-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1csc(N(Cc2ccc(N)cc2)C(C)C)n1
InChIInChI=1S/C14H19N3S/c1-10(2)17(14-16-11(3)9-18-14)8-12-4-6-13(15)7-5-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyRWKKHTRZUCUTQR-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.45
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine

N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 60875705) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID60875705
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1csc(N(Cc2ccc(N)cc2)C(C)C)n1
InChIInChI=1S/C14H19N3S/c1-10(2)17(14-16-11(3)9-18-14)8-12-4-6-13(15)7-5-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyRWKKHTRZUCUTQR-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62960824
N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476642
2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119797578
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
4-[(4-methyl-1,3-thiazol-2-yl)-propan-2-ylamino]butanoic acid
CID 60828366
4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829117
N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869637
1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 29050516
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine
CID 61239410
N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine
CID 115993964
N-benzyl-N-(2-bromoethyl)-4-methyl-1,3-thiazol-2-amine
CID 80674189

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 60875705) is N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine is Cc1csc(N(Cc2ccc(N)cc2)C(C)C)n1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is RWKKHTRZUCUTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10(2)17(14-16-11(3)9-18-14)8-12-4-6-13(15)7-5-12/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 60875705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).