3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride

C11H21Cl2N3OS — CID 119876577

IUPAC3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
SMILESCc1ncsc1CN(C)C(=O)C(C)(C)CN.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-8-9(16-7-13-8)5-14(4)10(15)11(2,3)6-12;;/h7H,5-6,12H2,1-4H3;2*1H
InChIKeyGNTCFAJKNICDRF-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride

3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride (PubChem CID 119876577) has the molecular formula C11H21Cl2N3OS and a molecular weight of 314.28 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
PubChem CID119876577
Molecular FormulaC11H21Cl2N3OS
Molecular Weight314.28 g/mol
Exact Mass313.08
IUPAC Name3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
SMILESCc1ncsc1CN(C)C(=O)C(C)(C)CN.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-8-9(16-7-13-8)5-14(4)10(15)11(2,3)6-12;;/h7H,5-6,12H2,1-4H3;2*1H
InChIKeyGNTCFAJKNICDRF-UHFFFAOYSA-N
XLogP2.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbamothioyl-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 114292314
2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 80555225
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009506
5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 107910110
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63837959
2,2-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 65301260
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
2-[ethyl-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 63838396
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
2-(2-aminoethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646179

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride (CID 119876577) is 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride is Cc1ncsc1CN(C)C(=O)C(C)(C)CN.Cl.Cl.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride?
The InChIKey is GNTCFAJKNICDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.2ClH/c1-8-9(16-7-13-8)5-14(4)10(15)11(2,3)6-12;;/h7H,5-6,12H2,1-4H3;2*1H.
What are the key properties of 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride?
3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride has a molecular weight of 314.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119876577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).