tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate

C14H25N3O2S — CID 103699064

IUPACtert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
SMILESCc1ncsc1CNCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O2S/c1-11-12(20-10-16-11)9-15-7-6-8-17(5)13(18)19-14(2,3)4/h10,15H,6-9H2,1-5H3
InChIKeyZKTQSDOXRWPBCL-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.80
Rot. Bonds6

About tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate

tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate (PubChem CID 103699064) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
PubChem CID103699064
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nametert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
SMILESCc1ncsc1CNCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O2S/c1-11-12(20-10-16-11)9-15-7-6-8-17(5)13(18)19-14(2,3)4/h10,15H,6-9H2,1-5H3
InChIKeyZKTQSDOXRWPBCL-UHFFFAOYSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 103792918
tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
CID 103647372
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281
tert-butyl N-[3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butyl]carbamate
CID 107253949
tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
CID 102672051
tert-butyl 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 86811551
tert-butyl N-methyl-N-[2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 103783110
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate (CID 103699064) is tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate is Cc1ncsc1CNCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate?
The InChIKey is ZKTQSDOXRWPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-12(20-10-16-11)9-15-7-6-8-17(5)13(18)19-14(2,3)4/h10,15H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate?
tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate has a molecular weight of 299.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 103699064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).