3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide

C10H17N3OS — CID 115919637

IUPAC3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCC(C)c1nc(CNCCC(N)=O)cs1
InChIInChI=1S/C10H17N3OS/c1-7(2)10-13-8(6-15-10)5-12-4-3-9(11)14/h6-7,12H,3-5H2,1-2H3,(H2,11,14)
InChIKeyLAKHSDBIXYRXNZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.23
Rot. Bonds6

About 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide

3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 115919637) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID115919637
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCC(C)c1nc(CNCCC(N)=O)cs1
InChIInChI=1S/C10H17N3OS/c1-7(2)10-13-8(6-15-10)5-12-4-3-9(11)14/h6-7,12H,3-5H2,1-2H3,(H2,11,14)
InChIKeyLAKHSDBIXYRXNZ-UHFFFAOYSA-N
XLogP1.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide (CID 115919637) is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide is CC(C)c1nc(CNCCC(N)=O)cs1.
What is the InChIKey of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is LAKHSDBIXYRXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)10-13-8(6-15-10)5-12-4-3-9(11)14/h6-7,12H,3-5H2,1-2H3,(H2,11,14).
What are the key properties of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide?
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 227.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 115919637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).